procaterol   Click here for help

GtoPdb Ligand ID: 3464

Approved drug Immunopharmacology Ligand
procaterol is an approved drug
Compound class: Synthetic organic
Comment: The approved drug procaterol is a mixture of 1R 2S and 1S, 2R stereoisomers. Four isomers are listed by PubChem.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 85.35
Molecular weight 290.16
XLogP 2.8
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C
Isomeric SMILES CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C
InChI InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4259 procaterol
Database Links Click here for help
CAS Registry No. 72332-33-3 (source: Scifinder)
ChEMBL Ligand CHEMBL160519
DrugBank Ligand DB01366
GtoPdb PubChem SID 53801069
PubChem CID 4916
Search Google for chemical match using the InChIKey FKNXQNWAXFXVNW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FKNXQNWAXFXVNW
Search PubMed clinical trials procaterol
Search PubMed titles procaterol
Search PubMed titles/abstracts procaterol
UniChem Compound Search for chemical match using the InChIKey FKNXQNWAXFXVNW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FKNXQNWAXFXVNW-UHFFFAOYSA-N
Wikipedia Procaterol